SCHEMBL7101354

SCHEMBL7101354

COc1cc([C@@H](C)OC(=O)O[C@H]2C[C@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O[C@@H]2CO)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
POLA1 P09884 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RNASE1 P07998 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
SLC29A1 Q99808 1/20 0.32
ABCB1 P08183 1/20 0.32
ADORA3 P0DMS8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7039861 0.84 SLC29A1 (0.40) ADORA2APOLBSLC29A1
SCHEMBL7031391 0.82 RNASE1 (0.52) RNASE1
SCHEMBL7031388 0.82 RNASE1 (0.52) RNASE1
SCHEMBL7105462 0.80 POLB (0.56) KDM4EALDH1A1MEN1KMT2ARNASE1
SCHEMBL21828787 0.77 KDM4E (0.71) KDM4EPOLA1TAS1R3TAS1R1ADORA1
SCHEMBL19666768 0.77 KDM4E (0.71) KDM4EPOLA1TAS1R3TAS1R1ADORA1
SCHEMBL7031559 0.77 SLC29A1 (0.34) MEN1KMT2AMAPTSLC29A1ADORA3
SCHEMBL10067865 0.77 KDM4E (0.63) KDM4EPOLA1TAS1R3TAS1R1ADORA1
SCHEMBL15164161 0.77 KDM4E (0.63) KDM4EPOLA1TAS1R3TAS1R1ADORA1
SCHEMBL23225351 0.75 KDM4E (0.77) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030009027-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support LINDEN TECHNOLOGIES, INC., A DELAWARE CORPORATION 2003-01-09 US disclosed
US-6489466-B2 PRODUCING IMMOBILIZED OLIGONUCLEOTIDES ON A SUBSTRATE BY COVALENTLY ATTACHING A FIRST NUCLEOTIDE OR OLIGONUCLEOTIDE VIA A C-5' OXYGEN OF THE NUCLEOTIDE TO THE SUBSTRATE; C-3'OXYGEN PROTECTED WITH PHOTO- OR CHEMICAL-LABILE GROUPS LINDEN TECHNOLOGIES, INC. 2002-12-03 US disclosed
US-20010044530-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support LINDEN TECHNOLOGIES, INC. 2001-11-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010044530-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support RNGTT, BCDIN3D, NT5C3B KDM4E 2813/4885POLA1 305/4885TAS1R3 3876/4885
US-20030009027-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support RNGTT, BCDIN3D, NT5C3B KDM4E 2813/4885POLA1 305/4885TAS1R3 3876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.